1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne

C14H30Si5 — CID 12957917

IUPAC1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne
SMILESC[Si]1(C)C#C[Si](C)(C)[Si](C)(C)[Si](C)(C)C#C[Si]1(C)C
InChIInChI=1S/C14H30Si5/c1-15(2)11-13-17(5,6)19(9,10)18(7,8)14-12-16(15,3)4/h1-10H3
InChIKeyHMMUEBRZMCWOSO-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.94
Rot. Bonds

About 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne

1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne (PubChem CID 12957917) has the molecular formula C14H30Si5 and a molecular weight of 338.82 g/mol. Its IUPAC name is 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne.

Molecular Properties

Compound Name1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne
PubChem CID12957917
Molecular FormulaC14H30Si5
Molecular Weight338.82 g/mol
Exact Mass338.12
IUPAC Name1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne
SMILESC[Si]1(C)C#C[Si](C)(C)[Si](C)(C)[Si](C)(C)C#C[Si]1(C)C
InChIInChI=1S/C14H30Si5/c1-15(2)11-13-17(5,6)19(9,10)18(7,8)14-12-16(15,3)4/h1-10H3
InChIKeyHMMUEBRZMCWOSO-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne?
The IUPAC name of 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne (CID 12957917) is 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne.
What is the SMILES notation for 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne?
The canonical SMILES for 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne is C[Si]1(C)C#C[Si](C)(C)[Si](C)(C)[Si](C)(C)C#C[Si]1(C)C.
What is the InChIKey of 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne?
The InChIKey is HMMUEBRZMCWOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Si5/c1-15(2)11-13-17(5,6)19(9,10)18(7,8)14-12-16(15,3)4/h1-10H3.
What are the key properties of 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne?
1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne has a molecular weight of 338.82 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,6,6,7,7-decamethyl-1,2,3,6,7-pentasilacyclonona-4,8-diyne is sourced from PubChem (CID 12957917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).